N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C17H12Cl2N6O2S — CID 42187032

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cnc21
InChIInChI=1S/C17H12Cl2N6O2S/c1-24-15-11(5-21-24)16(27)25(8-20-15)6-14(26)23-17-22-13(7-28-17)10-3-2-9(18)4-12(10)19/h2-5,7-8H,6H2,1H3,(H,22,23,26)
InChIKeyLCKYRGZERWJALB-UHFFFAOYSA-N
MW435.30 g/mol
LogP3.20
Rot. Bonds4

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 42187032) has the molecular formula C17H12Cl2N6O2S and a molecular weight of 435.30 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID42187032
Molecular FormulaC17H12Cl2N6O2S
Molecular Weight435.30 g/mol
Exact Mass434.01
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cnc21
InChIInChI=1S/C17H12Cl2N6O2S/c1-24-15-11(5-21-24)16(27)25(8-20-15)6-14(26)23-17-22-13(7-28-17)10-3-2-9(18)4-12(10)19/h2-5,7-8H,6H2,1H3,(H,22,23,26)
InChIKeyLCKYRGZERWJALB-UHFFFAOYSA-N
XLogP3.20
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24594266
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17488493
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 43038734
N-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24595472
N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 78807482
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17416732
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2,4,6-trichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 122635861
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 51288188
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16594435
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17440622

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 42187032) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cn1ncc2c(=O)n(CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cnc21.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is LCKYRGZERWJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6O2S/c1-24-15-11(5-21-24)16(27)25(8-20-15)6-14(26)23-17-22-13(7-28-17)10-3-2-9(18)4-12(10)19/h2-5,7-8H,6H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 435.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 42187032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).